N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide

C12H22N2O2 — CID 65105975

IUPACN-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c15-11(10-4-7-13-8-10)14-9-12(16)5-2-1-3-6-12/h10,13,16H,1-9H2,(H,14,15)
InChIKeyYRIBTYDRUQRXKQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.41
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 65105975) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
PubChem CID65105975
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c15-11(10-4-7-13-8-10)14-9-12(16)5-2-1-3-6-12/h10,13,16H,1-9H2,(H,14,15)
InChIKeyYRIBTYDRUQRXKQ-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxycyclohexyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-ynamide
CID 134853419
N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65106035
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65119734
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65120329
N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 111459390
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 64868494
N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 65106374
(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 50963847
N-butan-2-yl-3-[(1-hydroxycyclohexyl)methylamino]propanamide
CID 54900959
4-[(1-Hydroxycyclohexyl)methylamino]butanamide
CID 60908741
3-[(1-Hydroxycyclohexyl)methylamino]propanamide
CID 60909908

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide (CID 65105975) is N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide is O=C(NCC1(O)CCCCC1)C1CCNC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is YRIBTYDRUQRXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11(10-4-7-13-8-10)14-9-12(16)5-2-1-3-6-12/h10,13,16H,1-9H2,(H,14,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 65105975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).