2-propylidene-1,4-oxazepane

C8H15NO — CID 123910409

IUPAC2-propylidene-1,4-oxazepane
SMILESCCC=C1CNCCCO1
InChIInChI=1S/C8H15NO/c1-2-4-8-7-9-5-3-6-10-8/h4,9H,2-3,5-7H2,1H3
InChIKeyGPJNSNHAORNJPW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds1

About 2-propylidene-1,4-oxazepane

2-propylidene-1,4-oxazepane (PubChem CID 123910409) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-propylidene-1,4-oxazepane.

Molecular Properties

Compound Name2-propylidene-1,4-oxazepane
PubChem CID123910409
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-propylidene-1,4-oxazepane
SMILESCCC=C1CNCCCO1
InChIInChI=1S/C8H15NO/c1-2-4-8-7-9-5-3-6-10-8/h4,9H,2-3,5-7H2,1H3
InChIKeyGPJNSNHAORNJPW-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine
CID 102651560
(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine
CID 126663258
(Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine
CID 131992479
(7Z)-4-ethyl-7-ethylidene-1,4-oxazepane
CID 169659368
2,3,4,5,5a,6-Hexahydro-1,5-benzoxazepine
CID 173254495
5,5,7-trimethyl-3,4-dihydro-2H-1,4-oxazepine
CID 55287336
N-(3,4-dihydro-2H-pyran-6-ylmethyl)ethanamine
CID 102647458
N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine
CID 102647459
N-(2,3-dihydrofuran-5-ylmethyl)ethanamine
CID 102651559
N-(2,3-dihydrofuran-5-ylmethyl)-2-methoxyethanamine
CID 102651565
(6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane
CID 145470372

Frequently Asked Questions

What is the IUPAC name of 2-propylidene-1,4-oxazepane?
The IUPAC name of 2-propylidene-1,4-oxazepane (CID 123910409) is 2-propylidene-1,4-oxazepane.
What is the SMILES notation for 2-propylidene-1,4-oxazepane?
The canonical SMILES for 2-propylidene-1,4-oxazepane is CCC=C1CNCCCO1.
What is the InChIKey of 2-propylidene-1,4-oxazepane?
The InChIKey is GPJNSNHAORNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8-7-9-5-3-6-10-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 2-propylidene-1,4-oxazepane?
2-propylidene-1,4-oxazepane has a molecular weight of 141.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylidene-1,4-oxazepane is sourced from PubChem (CID 123910409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).