N-[(2R)-heptan-2-yl]formamide

C8H17NO — CID 5496795

IUPACN-[(2R)-heptan-2-yl]formamide
SMILESCCCCC[C@@H](C)NC=O
InChIInChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m1/s1
InChIKeyGFVRKPKAQHTAQK-MRVPVSSYSA-N
MW143.23 g/mol
LogP1.70
Rot. Bonds6

About N-[(2R)-heptan-2-yl]formamide

N-[(2R)-heptan-2-yl]formamide (PubChem CID 5496795) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]formamide
PubChem CID5496795
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-[(2R)-heptan-2-yl]formamide
SMILESCCCCC[C@@H](C)NC=O
InChIInChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m1/s1
InChIKeyGFVRKPKAQHTAQK-MRVPVSSYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]formamide?
The IUPAC name of N-[(2R)-heptan-2-yl]formamide (CID 5496795) is N-[(2R)-heptan-2-yl]formamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]formamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]formamide is CCCCC[C@@H](C)NC=O.
What is the InChIKey of N-[(2R)-heptan-2-yl]formamide?
The InChIKey is GFVRKPKAQHTAQK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]formamide?
N-[(2R)-heptan-2-yl]formamide has a molecular weight of 143.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-heptan-2-yl]formamide is sourced from PubChem (CID 5496795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).