N-[1-(hydroxymethyl)cyclopropyl]pentanamide

C9H17NO2 — CID 115764875

IUPACN-[1-(hydroxymethyl)cyclopropyl]pentanamide
SMILESCCCCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO2/c1-2-3-4-8(12)10-9(7-11)5-6-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyDJHMACYFHMWTES-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.82
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopropyl]pentanamide

N-[1-(hydroxymethyl)cyclopropyl]pentanamide (PubChem CID 115764875) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]pentanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]pentanamide
PubChem CID115764875
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]pentanamide
SMILESCCCCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO2/c1-2-3-4-8(12)10-9(7-11)5-6-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyDJHMACYFHMWTES-UHFFFAOYSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide
CID 115772394
3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764765
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
CID 129305066
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
CID 103881092
5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
CID 79198654
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[1-(hydroxymethyl)cyclopentyl]-4-(pentanoylamino)benzamide
CID 50952378

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]pentanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]pentanamide (CID 115764875) is N-[1-(hydroxymethyl)cyclopropyl]pentanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]pentanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]pentanamide is CCCCC(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]pentanamide?
The InChIKey is DJHMACYFHMWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-8(12)10-9(7-11)5-6-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]pentanamide?
N-[1-(hydroxymethyl)cyclopropyl]pentanamide has a molecular weight of 171.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]pentanamide is sourced from PubChem (CID 115764875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).